5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide

C13H20N4O2S — CID 114395789

IUPAC5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
SMILESNC(=S)CCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H20N4O2S/c14-12(20)3-1-2-4-17-13(18)9-11(10-15-17)16-5-7-19-8-6-16/h9-10H,1-8H2,(H2,14,20)
InChIKeyKOBNCJAGGBGAGY-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.54
Rot. Bonds6

About 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide

5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide (PubChem CID 114395789) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide.

Molecular Properties

Compound Name5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
PubChem CID114395789
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
SMILESNC(=S)CCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H20N4O2S/c14-12(20)3-1-2-4-17-13(18)9-11(10-15-17)16-5-7-19-8-6-16/h9-10H,1-8H2,(H2,14,20)
InChIKeyKOBNCJAGGBGAGY-UHFFFAOYSA-N
XLogP0.54
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397080
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide
CID 114396751

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide?
The IUPAC name of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide (CID 114395789) is 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide.
What is the SMILES notation for 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide?
The canonical SMILES for 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide is NC(=S)CCCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide?
The InChIKey is KOBNCJAGGBGAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c14-12(20)3-1-2-4-17-13(18)9-11(10-15-17)16-5-7-19-8-6-16/h9-10H,1-8H2,(H2,14,20).
What are the key properties of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide?
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide has a molecular weight of 296.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide is sourced from PubChem (CID 114395789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).